CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1953.7 1912 326.94 326.94 329.61 |
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COMPUTED DESCRIPTORS
Molecular Weight | 181.23 g/mol |
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XLogP3 | 4.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 0 |
Exact Mass | 181.089149355 g/mol |
Monoisotopic Mass | 181.089149355 g/mol |
Topological Polar Surface Area | 15.8 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 213 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |